| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: (3S)-1-[3-(aminomethyl)-1-isoquinolyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[3-(aminomethyl)-1-isoqui…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.07 | 7.2 | -90.25 | 4 | 4 | 2 | 48 | 272.396 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 4.83 | -22.13 | 3 | 4 | 1 | 47 | 271.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 4.42 | -6.55 | 2 | 4 | 0 | 45 | 270.38 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.07 | 4.81 | -43.65 | 3 | 4 | 1 | 47 | 271.388 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.07 | 7.22 | -82 | 4 | 4 | 2 | 48 | 272.396 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
